SCHEMBL38963

SCHEMBL38963

Cc1cc(C(=O)N2CCCCc3sccc32)ccc1COC(=O)N1CC(C)C[C@H]1C(=O)N1CCCNCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.47
OXTR P30559 9/20 0.47
AVPR1A P37288 2/20 0.38
AVPR1B P47901 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1660513 0.79 AVPR2 (0.67) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL5429019 0.79 AVPR2 (0.67) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL38603 0.76 AVPR2 (0.58) AVPR2OXTRAVPR1A
Trifluoroacetic Acid SCHEMBL6202890 0.75 AVPR2 (0.62) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL8368994 0.74 AVPR2 (0.61) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6366104 0.74 AVPR2 (0.51) AVPR2OXTRAVPR1AAVPR1B
Hydrochloric Acid SCHEMBL4828748 0.73 AVPR2 (0.61) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202295 0.72 AVPR1A (0.46) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202773 0.71 AVPR1A (0.55) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202894 0.71 AVPR2 (0.53) AVPR2OXTRAVPR1AAVPR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575853-A1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF A FEEDING DISORDER WITH EARLY-ONSET IN A PATIENT INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2013-04-10 EP disclosed
WO-2011147889-A1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF A FEEDING DISORDER WITH EARLY-ONSET IN A PATIENT INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-12-01 WO disclosed